butyl 4-[[1-[(3-bromophenyl)methylsulfonyl]piperidin-4-yl]carbonylamino]benzoate

Systemtic Name: butyl 4-[[1-[(3-bromophenyl)methylsulfonyl]piperidin-4-yl]carbonylamino]benzoate Openeye Name: butyl 4-[[1-[(3-bromophenyl)methylsulfonyl]piperidine-4-carbonyl]amino]benzoate CAS Name: 4-[[[1-[(3-bromophenyl)methylsulfonyl]-4-piperidinyl]-oxomethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[1-[(3-bromophenyl)methylsulfonyl]piperidine-4-carbonyl]amino]benzoate Traditional Name: 4-[[1-(3-bromobenzyl)sulfonylisonipecotoyl]amino]benzoic acid butyl ester Formula: C24H29BrN2O5S MolecularWeight: 537.46646

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC(=CC=C3)Br

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC(=CC=C3)Br

InChI

InChI=1S/C24H29BrN2O5S/c1-2-3-15-32-24(29)20-7-9-22(10-8-20)26-23(28)19-11-13-27(14-12-19)33(30,31)17-18-5-4-6-21(25)16-18/h4-10,16,19H,2-3,11-15,17H2,1H3,(H,26,28)